Information card for entry 4126966

Structure parameters

• Formula: C139 H181 Ag20 Fe8 N5 O21 S10
• Calculated formula: C139 H181 Ag20 Fe8 N5 O21 S10
• Title of publication: Atom-precise Modification of Silver(I) Thiolate Cluster by Shell Ligand Substitution: A New Approach to Generation of Cluster Functionality and Chirality.
• Authors of publication: Li, Si; Du, Xiang-Sha; Li, Bing; Wang, Jia-Yin; Li, Guo-Ping; Gao, Guang-Gang; Zang, Shuang-Quan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 15.2883 ± 0.0004 Å
• b: 16.3501 ± 0.0004 Å
• c: 16.6836 ± 0.0004 Å
• α: 77.024 ± 0.002°
• β: 87.2409 ± 0.0019°
• γ: 89.331 ± 0.002°
• Cell volume: 4059.11 ± 0.18 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0602
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1444
• Weighted residual factors for all reflections included in the refinement: 0.1473
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No